Responsive image

Common name


trichlorfon

Formula


C4H8Cl3O4P

CAS


52-68-6

IUPAC name


dimethyl (P)-(2,2,2-trichloro-1-hydroxyethyl)phosphonate

SMILES


COP(=O)(C(C(Cl)(Cl)Cl)O)OC

INCHI


InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3

Physicochemical Properties

Molecular weight:

257.437

Molar refractivity:

47.592

Num. bonds:

11

Num. double bonds:

1

Num. triple bonds:

0

Num. heavy atoms:

12

Num. nitrogen atom:

0

Num. oxygen atoms:

4

Num. sulphur atoms :

0

Num. P atoms:

1

Num. halogen atoms:

3

Num. H-bond acc:

4

Num. H-bond donors:

1

Complexity of system:

11.08

Lipophilicity

ALogP:

1.238

MLogP:

1.02

XLogP:

0.527

Water Solubility

CLogS:

-1.528

Geometric

PPSA-1:

174.056

PNSA-1:

234.562

RPCS:

0.049

RNCS:

5.469

THSA:

297.699

TPSA:

110.919

RHSA:

0.729

RPSA:

0.271

Electrostatic

RPCG:

0.222

RNCG:

0.238

Flexibility

Num. Rot. bonds:

4

Frac. of Rot. bonds:

0.364

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

3

topoDiameter:

5

TopoPSA:

65.57
Responsive image

Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.479

QEI:

0.749

Gau:

6.028